6QR5

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	74.183, 77.985, 86.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.273 - 1.810
R-factor	0.191
Rwork	0.190
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.007
RMSD bond angle	0.998
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.990	77.990	1.910
High resolution limit [Å]	1.810	5.720	1.810
Rmerge	0.040	0.027	0.643
Rmeas	0.043	0.029	0.680
Rpim	0.014	0.010	0.219
Total number of observations	409177
Number of reflections	46361	1614	6667
<I/σ(I)>	25.1
Completeness [%]	100.0	99.7	100
Redundancy	8.8	7.6	9.1
CC(1/2)	1.000	1.000	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.08M Sodium cacodylate pH 6.5 -7.0, 1-2 M Ammonium sulphate